PCIDB

KNApSAcK Metabolite C00001730

Metabolite

KNApSAcK Entry

id C00001730
Name Gabunine
CAS RN 1357-30-8
Standard InChI InChI=1S/C42H50N4O5/c1-6-23-16-22-19-42(41(48)51-5)38-27(14-15-46(21-22)39(23)42)26-12-13-33(49-3)35(37(26)45-38)30-17-28-24(7-2)20-43-32(34(28)40(47)50-4)18-29-25-10-8-9-11-31(25)44-36(29)30/h7-13,22-23,28,30,32,34,39,43-45H,6,14-21H2,1-5H3/b24-7-/t22-,23+,28-,30-,32-,34?,39+,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H50N4O5/c1-6-23-16-22-19-42(41(48)51-5)38-27(14-15-46(21-22)39(23)42)26-12-13-33(49-3)35(37(26)45-38)30-17-28-24(7-2)20-43-32(34(28)40(47)50-4)18-29-25-10-8-9-11-31(25)44-36(29)30/h7-13,22-23,28,30,32,34,39,43-45H,6,14-21H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 217

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09195

CTD

By CAS RN